Chem
J-GLOBAL ID：200907058422083594   Nikkaji number：J1.434.751H

4,2β-[(3α,5β-Dimethyl-4β-hydroxytetrahydro-2H-pyran-2β,6β-diyl)[(3S,7S,9S)-3,5,7,9-tetramethyl-4-nonene-1,9-diyl]]-2,5-dihydroxy-7-methyl-3-[2-(acetylamino)ethylthio]-benzofuran-6(2H)-one

4,2β-[(3α,5β-ジメチル-4β-ヒドロキシテトラヒドロ-2H-ピラン-2β,6β-ジイル)[(3S,7S,9S)-3,5,7,9-テトラメチル-4-ノネン-1,9-ジイル]]-2,5-ジヒドロキシ-7-メチル-3-[2-(アセチルアミノ)エチルチオ]-ベンゾフラン-6(2H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H49NO7S
Molecular formula furigana： C33-H49-N-O7-S
Molecular weight： 603.820
InChI： InChI=1S/C33H49NO7S/c1-16-9-10-24-20(5)27(36)21(6)30(40-24)25-26-31(22(7)28(37)29(25)38)41-33(39,32(26)42-12-11-34-23(8)35)19(4)15-18(3)14-17(2)13-16/h13,16,18-21,24,27,30,36,38-39H,9-12,14-15H2,1-8H3,(H,34,35)/t16-,18+,19-,20-,21+,24+,27-,30+,33-/m0/s1
InChI key： VUHQJDDKIYSTIX-NTXRQJEUSA-N
SMILES： C[C@H]1[C@H]2CC[C@H](C)C=C(C)C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=C([C@H](O2)[C@H](C)[C@H]1O)C4=C3SCCNC(=O)C)O
Systematic name  (3)：
  • 4,2β-[(3α,5β-ジメチル-4β-ヒドロキシテトラヒドロ-2H-ピラン-2β,6β-ジイル)[(3S,7S,9S)-3,5,7,9-テトラメチル-4-ノネン-1,9-ジイル]]-2,5-ジヒドロキシ-7-メチル-3-[2-(アセチルアミノ)エチルチオ]-ベンゾフラン-6(2H)-オン
  • N-(2-{[(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-トリヒドロキシ-5,10,12,14,16,20,22-ヘプタメチル-4-オキソ-23,24-ジオキサテトラシクロ[17.3.1.16,9.02,7]テトラコサ-2,5,7,14-テトラエン-8-イル]スルファニル}エチル)アセトアミド
  • N-(2-{[(1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-8-yl]sulfanyl}ethyl)acetamide
Other name (1)：
  • 4,2β-[(3α,5β-Dimethyl-4β-hydroxytetrahydro-2H-pyran-2β,6β-diyl)[(3S,7S,9S)-3,5,7,9-tetramethyl-4-nonene-1,9-diyl]]-2,5-dihydroxy-7-methyl-3-[2-(acetylamino)ethylthio]-benzofuran-6(2H)-one
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